2023-2024 / PHYS0980-1

Spectroscopy of materials


20h Th, 10h Pr

Number of credits

 Master in physics, research focus (FAME+)4 crédits 
 Master in chemistry (120 ECTS) (AMIS)4 crédits 
 Master in chemistry (120 ECTS) (FAME AIS)4 crédits 
 Master in physics (120 ECTS)4 crédits 
 Master in physics (120 ECTS) (AMIS)4 crédits 
 Master in physics (120 ECTS) (FAME-AIS)4 crédits 
 Master in physics (60 ECTS) (Registrations are closed)4 crédits 
 Advanced Master in Nanotechnologies4 crédits 


Language(s) of instruction

English language

Organisation and examination

Teaching in the first semester, review in January


Schedule online

Units courses prerequisite and corequisite

Prerequisite or corequisite units are presented within each program

Learning unit contents

Different spectroscopic techniques are presented, with particular attention to electronic and vibrational spectroscopies.
The first part of the course covers the general theory of time dependent perturbations, and the derivation of several particular cases (at least IR and optical absorption).
The second half covers learning the basic usage of an ab initio spectroscopic simulation program (OCTOPUS), and the calculation of a basic spectrum, to be compared with experimental data.

Learning outcomes of the learning unit

To gain an overview of different types of spectroscopy, and a deeper understanding of 1) how they relate to theories which can predict them and 2) how one can go about simulating a spectrum in practice.
An additional outcome will be practical experience with a numerical simulation program.

Prerequisite knowledge and skills

Basic Physics
Quantum mechanics
Electron-EM field interactions

Planned learning activities and teaching methods

The second half of the course will be done on workstations, following on-line tutorials to learn and then use an ab initio simulation package.

Mode of delivery (face to face, distance learning, hybrid learning)

The first half of the course is face-to-face. The second half is carried out in the Physics Department computer rooms.

Recommended or required readings

Slides used in class are available on MyULG in pdf format (in French for the moment)
Main references:

  • JJ Sakurai Modern Quantum Mechanics, Addison Wesley 1995, ISBN-10: 0201539292
  • JJ Sakurai Advanced Quantum Mechanics, Addison Wesley 1967, ISBN-10: 0201067102
  • Time-Dependent Density Functional Theory, M.A.L. Marques et al. (Ed), Springer, ISBN-10: 3540354220

The exam is in 2 parts:

  • a written report on the simulations which were carried out
  • a 10-15 minute oral presentation (conference style)

Work placement(s)

Organisational remarks and main changes to the course


Prof. Matthieu Verstraete
Universite de Liège
Département de Physique, Bat. B5, bureau 4/50
Allée du 6 aout, 19
B- 4000 Sart Tilman, Liège
Phone : +32 4 366 90 17
Mail : matthieu.verstraete@uliege.be

Association of one or more MOOCs

Items online

General presentation of octopus
These are generic presentation slides from a school on octopus in 2012 (some updates as well).

Slides for chapters 1-6
slides (latex/beamer) in pdf format for chapters 1-6 of the course on materials spectroscopy